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	hartrees
Energy at 0K	-139.034615
Energy at 298.15K	-139.037676
HF Energy	-139.034615
Nuclear repulsion energy	37.789122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3233	2905	30.53	120.73	0.05	0.09
2	A₁	1652	1484	13.40	5.00	0.74	0.85
3	A₁	1187	1066	126.25	5.72	0.52	0.69
4	E	3313	2977	60.87	57.47	0.75	0.86
4	E	3313	2977	60.87	57.47	0.75	0.86
5	E	1653	1485	0.77	16.35	0.75	0.86
5	E	1653	1485	0.77	16.35	0.75	0.86
6	E	1312	1179	3.37	6.81	0.75	0.86
6	E	1312	1179	3.37	6.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.623
F2	0.000	0.000	0.741
H3	0.000	1.022	-0.977
H4	0.885	-0.511	-0.977
H5	-0.885	-0.511	-0.977

	C1	F2	H3	H4	H5
C1		1.3645	1.0818	1.0818	1.0818
F2	1.3645		1.9994	1.9994	1.9994
H3	1.0818	1.9994		1.7708	1.7708
H4	1.0818	1.9994	1.7708		1.7708
H5	1.0818	1.9994	1.7708	1.7708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.089	F2	C1	H4	109.089
F2	C1	H5	109.089	H3	C1	H4	109.851
H3	C1	H5	109.851	H4	C1	H5	109.851

All results from a given calculation for CH₃F (Methyl fluoride)

using model chemistry: HF/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	x	y	z	Total
	0.000	0.000	-1.989	1.989
CHELPG	0.000	-0.000	-1.999	1.999
AIM
ESP	-0.001	-0.005	-2.001	2.001

Number	Element	Mulliken
1	C	-0.063
2	F	-0.401
3	H	0.155
4	H	0.155
5	H	0.155

<r²>	20.666
(<r²>)^1/2	4.546

All results from a given calculation for CH3F (Methyl fluoride)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CH₃F (Methyl fluoride)